SCHEMBL5070482

SCHEMBL5070482

NCCS(=O)(=O)OS(=O)(=O)CCN(Cl)Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL714443 0.81 LMNA (0.45) LMNASLC6A6CYP2C19BLM
SCHEMBL27495299 0.78 LMNA (0.43) LMNASLC6A6CYP2C19BLM
Taurine SCHEMBL5070478 0.71 LMNA (0.64) LMNASLC6A6CYP2C19BLM
SCHEMBL1067729 0.70 LMNA (0.32) LMNASLC6A6CYP2C19BLM
SCHEMBL628770 0.69 LMNA (0.39) LMNASLC6A6CYP2C19BLM
SCHEMBL3480921 0.67 LMNA (0.50) LMNASLC6A6CYP2C19BLM
SCHEMBL11195053 0.67 LMNA (0.38) LMNASLC6A6CYP2C19BLM
SCHEMBL3377933 0.67 CA1 (0.37)
SCHEMBL1810867 0.67 LMNA (0.33) LMNASLC6A6CYP2C19BLM
SCHEMBL3119290 0.66

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1902158-B N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC 2011-04-06 CN disclosed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN disclosed
CN-1902158-A N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC (US) 2007-01-24 CN disclosed
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them NOVABAY PHARMACEUTICALS, INC. 2006-11-02 US disclosed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them DAO, ASNS, DDC LMNA 3988/4885SLC6A6 1479/4885CYP2C19 881/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.